7RMU
Structure of Thermomonospora curvata heme-containing DyP-type peroxidase with a modified axial ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-07-22 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 32 1 2 |
| Unit cell lengths | 87.698, 87.698, 107.870 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.850 - 2.100 |
| R-factor | 0.1733 |
| Rwork | 0.170 |
| R-free | 0.21030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jxu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.915 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
| Rmerge | 0.078 | 0.037 | 0.816 |
| Rmeas | 0.080 | 0.038 | 0.850 |
| Rpim | 0.017 | 0.008 | 0.224 |
| Total number of observations | 577899 | ||
| Number of reflections | 27294 | 2901 | 2237 |
| <I/σ(I)> | 10.5 | ||
| Completeness [%] | 97.8 | 100 | 81.5 |
| Redundancy | 21.2 | 22.2 | 12.2 |
| CC(1/2) | 1.000 | 0.410 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 0.1 M sodium citrate tribasic (pH 5.6), 0.5 M ammonium sulfate, 1.0 M lithium sulfate |
